Basic information
- CAS
4553-59-7- Standard SMILES
N#CC(Nc1ccccc1)c1ccccc1- InChIKey
XOMUKMGWTCEDRE-UHFFFAOYSA-N- Molecular formula
- C14H12N2
- Average molar mass
- 208.26 g/mol
- Monoisotopic mass
- 208.10004839
Names & identifiers
- Preferred name
- N,2-Diphenylglycinonitrile
- IUPAC
- 2-anilino-2-phenylacetonitrile
- English name
- Phenyl-phenylamino-acetonitrile
- Molecular formula
- C14H12N2
- Molecular weight
- 208.26
Names & synonyms
N,2-DIPHENYLGLYCINONITRILERefChem:821491654-327-44553-59-7PHENYL-PHENYLAMINO-ACETONITRILE2-phenyl-2-(phenylamino)acetonitrilePhenyl(phenylamino)acetonitrile2-anilino-2-phenylacetonitrileAcetonitrile, anilinophenyl-MFCD00019793.alpha.-AnilinophenylacetonitrileNSC406219
Show more names
anilino(phenyl)acetonitrileα-Anilinobenzeneacetonitrile2-(Diphenylamino)acetonitrileα-(Phenylamino)benzeneacetonitrile2-(Phenylamino)-2-phenylacetonitrileBenzeneacetonitrile, α-(phenylamino)-
Benzeneacetonitrile, .alpha.-(phenylamino)-2-anilino-2-phenyl acetonitrileDTXSID80323244NSC403420AKOS004906930NSC-403420NSC-406219Glycinonitrile,2-diphenyl-
Database identifiers
- CAS
4553-59-7- PubChem CID
- 345685
- DTXSID
DTXSID80323244- ChEMBL
CHEMBL3116077- EC Number
- 654-327-4
- Nikkaji
- J146.109E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 85 · 85-86 °C
- Boiling point
- 369.7 · 369.7±30.0 °C(Predicted)
- Density
- 1.155 · 1.155±0.06 g/cm3(Predicted)
- pka
- 0.47 · 0.47±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280-P271
- Hazard Codes
- T
- HS Code
- 2926907090 · 2926907090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- hs_code
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280-P271
Chemistry & industry
Suppliers13 total
济南药德生物科技有限公司17805033575; 17805033575 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
Syntechem Co.,Ltd[email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…